(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C16H25BrN2Si — CID 58086848

IUPAC(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2cccnc21
InChIInChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h7-13H,1-6H3
InChIKeyNXIZHZFQXKWSAK-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.82
Rot. Bonds4

About (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 58086848) has the molecular formula C16H25BrN2Si and a molecular weight of 353.38 g/mol. Its IUPAC name is (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID58086848
Molecular FormulaC16H25BrN2Si
Molecular Weight353.38 g/mol
Exact Mass352.10
IUPAC Name(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2cccnc21
InChIInChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h7-13H,1-6H3
InChIKeyNXIZHZFQXKWSAK-UHFFFAOYSA-N
XLogP5.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 58086848) is (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2cccnc21.
What is the InChIKey of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is NXIZHZFQXKWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h7-13H,1-6H3.
What are the key properties of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 353.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 58086848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).